6-[[2,6-bis(chloranyl)phenyl]methyl]-2-butan-2-ylsulfanyl-5-methyl-1H-pyrimidin-4-one

Systemtic Name: 6-[[2,6-bis(chloranyl)phenyl]methyl]-2-butan-2-ylsulfanyl-5-methyl-1H-pyrimidin-4-one Openeye Name: 6-[(2,6-dichlorophenyl)methyl]-5-methyl-2-sec-butylsulfanyl-1H-pyrimidin-4-one CAS Name: 2-(butan-2-ylthio)-6-[(2,6-dichlorophenyl)methyl]-5-methyl-1H-pyrimidin-4-one IUPAC Name: 2-butan-2-ylsulfanyl-6-[(2,6-dichlorophenyl)methyl]-5-methyl-1H-pyrimidin-4-one Traditional Name: 6-(2,6-dichlorobenzyl)-5-methyl-2-(sec-butylthio)-1H-pyrimidin-4-one Formula: C16H18Cl2N2OS MolecularWeight: 357.29792

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=O)C(=C(N1)CC2=C(C=CC=C2Cl)Cl)C

Isomeric SMILES

CCC(C)SC1=NC(=O)C(=C(N1)CC2=C(C=CC=C2Cl)Cl)C

InChI

InChI=1S/C16H18Cl2N2OS/c1-4-9(2)22-16-19-14(10(3)15(21)20-16)8-11-12(17)6-5-7-13(11)18/h5-7,9H,4,8H2,1-3H3,(H,19,20,21)